Molecule

ID:66485

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₃F₂N₃O₂
Molecular Mass
423.4551264
Exact Mass
423.17583343
Charge
0
InChI
InChI=1S/C24H23F2N3O2/c25-21-7-3-19(4-8-21)24(20-5-9-22(26)10-6-20)28-15-13-27(14-16-28)17-18-1-11-23(12-2-18)29(30)31/h1-12,24H,13-17H2
InChIKey
BLAMRGGBDBVKNR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)Cc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
N1(CCN(CC1)Cc1ccc(cc1)[N+](=O)[O-])C(c1ccc(cc1)F)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.7391284
LogD (pH = 7.4)
5.260616
Log P
5.4958634
Molar Refractivity
116.2995
Polarizability
44.050762
Polar Surface Area
49.62
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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